methyl (1R,2R,5S,10S,11R,12R,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate | 1191264-74-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: methyl (1R,2R,5S,10S,11R,12R,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate
• CAS: 1191264-74-0
• 化学式: C₃₂H₄₉NO₄
• 分子量: 511.745
• InChiKey: SOICOZWUGAFFPJ-JGOPKDJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl (1R,2R,5S,10S,11R,12R,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate 在 sodium methylate 、 盐酸 作用下， 以 甲醇 、 甲基叔丁基醚 、 水 为溶剂， 以94%的产率得到methyl (4aS,6aR,6aR,6bR,8aR,12aR,14R,14aR,14bS)-11-cyano-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylate
  参考文献：
  名称：

  [EN] ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  [FR] MODULATEURS D'INFLAMMATION ANTIOXYDANTS: DÉRIVÉS D'ACIDE OLÉANOLIQUE PRÉSENTANT UNE SATURATION DANS L'ANNEAU C

  摘要：

  公开号：

  WO2009129545A8
• 作为产物：
  描述：

  methyl (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,6a,7,8,8a,12,13,14a,14b-dodecahydro-1H-picene-4a-carboxylate 在 lithium aluminium tetrahydride 、 盐酸羟胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 17.58h， 生成 methyl (1R,2R,5S,10S,11R,12R,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate 、 methyl (1R,2R,5S,10S,11R,12S,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate
  参考文献：
  名称：

  [EN] ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  [FR] MODULATEURS D'INFLAMMATION ANTIOXYDANTS: DÉRIVÉS D'ACIDE OLÉANOLIQUE PRÉSENTANT UNE SATURATION DANS L'ANNEAU C

  摘要：

  公开号：

  WO2009129545A8

文献信息

• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：Anderson Eric

  公开号：US20100056777A1

  公开（公告）日：2010-03-04

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：Anderson Eric

  公开号：US20110245233A1

  公开（公告）日：2011-10-06

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring
  申请人：Anderson Eric

  公开号：US20120245374A1

  公开（公告）日：2012-09-27

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• US7915402B2
  申请人：——

  公开号：US7915402B2

  公开（公告）日：2011-03-29
• US8124656B2
  申请人：——

  公开号：US8124656B2

  公开（公告）日：2012-02-28